Compound Identification
SMILES
COC1=CC=C(NS(=O)(=O)C2=CC=C(NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C=C2)C=C1
InChIKey
InChIKey=HCKSHYLYSRNIGO-UHFFFAOYSA-N
Formula
C25H27N3O4S2
Mass
497.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
-
Subclass
N-phenylthioureas
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-acyl-phenylthioureas
Alternative Parents
Benzenesulfonamides Sulfanilides Benzenesulfonyl compounds Benzoic acids and derivatives Methoxyanilines Phenylpropanes Methoxybenzenes Anisoles Benzoyl derivatives Phenoxy compounds Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Thioureas Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Benzenesulfonamide - Sulfanilide - Benzoic acid or derivatives - Phenylpropane - Methoxyaniline - Benzenesulfonyl group - Methoxybenzene - Benzoyl - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Thiourea - Ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
External Descriptors
Not available